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BORJATRIOL
SpectraBase Compound ID EWSQfwqHiTa
InChI InChI=1S/C20H36O4/c1-17(2)8-6-9-18(3)13-7-10-19(4,16(23)12-21)24-20(13,5)15(22)11-14(17)18/h13-16,21-23H,6-12H2,1-5H3/t13-,14+,15+,16+,18-,19-,20+/m1/s1
InChIKey YWTBYYFVZRIQQE-IHAQYFQTSA-N
Mol Weight 340.5 g/mol
Molecular Formula C20H36O4
Exact Mass 340.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6uBoCGHyTm6
Name (1S)-1-[(3R,4aS,5S,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-5-oxidanyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol
Alternate Name(s) (1S)-1-[(3R,4aS,5S,6aS,10aS,10bR)-5-hydroxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol (1S)-1-[(3R,4aS,5S,6aS,10aS,10bR)-5-hydroxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f][1]benzopyran-3-yl]ethane-1,2-diol
CAS Registry Number 76549-11-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36O4
InChI InChI=1S/C20H36O4/c1-17(2)8-6-9-18(3)13-7-10-19(4,16(23)12-21)24-20(13,5)15(22)11-14(17)18/h13-16,21-23H,6-12H2,1-5H3/t13-,14+,15+,16+,18-,19-,20+/m1/s1
InChIKey YWTBYYFVZRIQQE-IHAQYFQTSA-N
Molecular Weight 340.504 g/mol
SMILES O[C@@](CO)([C@@]1(O[C@]2([C@@]([C@]3(CCCC([C@@]3(C[C@@]2(O)[H])[H])(C)C)C)(CC1)[H])C)C)[H]
SPLASH splash10-02l4-8590000000-51b2a1d395b33146dacb
Source of Spectrum J-46-1917-0
Wiley ID 1335352